| Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach L Mittal, A Kumari, M Srivastava, M Singh, S Asthana Journal of Biomolecular Structure and Dynamics 39 (10), 3662-3680, 2021 | 188 | 2021 |
| Interplay among structural stability, plasticity, and energetics determined by conformational attuning of flexible loops in PD-1 L Mittal, M Srivastava, A Kumari, RK Tonk, A Awasthi, S Asthana Journal of Chemical Information and Modeling 61 (1), 358-384, 2021 | 39 | 2021 |
| Insights into structural dynamics of allosteric binding sites in HCV RNA-dependent RNA polymerase L Mittal, A Kumari, C Suri, S Bhattacharya, S Asthana Journal of Biomolecular Structure and Dynamics 38 (6), 1612-1625, 2020 | 33 | 2020 |
| Conformational characterization of linker revealed the mechanism of cavity formation by 227G in BVDV RDRP L Mittal, M Srivastava, S Asthana The Journal of Physical Chemistry B 123 (29), 6150-6160, 2019 | 26 | 2019 |
| Molecular dynamics simulations reveal the interaction fingerprint of remdesivir triphosphate pivotal in allosteric regulation of SARS-CoV-2 RdRp M Srivastava, L Mittal, A Kumari, S Asthana Frontiers in molecular biosciences 8, 639614, 2021 | 19 | 2021 |
| Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations A Kumari, L Mittal, M Srivastava, S Asthana Journal of Biomolecular Structure and Dynamics 40 (19), 9287-9305, 2022 | 18 | 2022 |
| Targeting cryptic-orthosteric site of PD-L1 for inhibitor identification using structure-guided approach L Mittal, RK Tonk, A Awasthi, S Asthana Archives of Biochemistry and Biophysics 713, 109059, 2021 | 18 | 2021 |
| Conformational characterization of the co-activator binding site revealed the mechanism to achieve the bioactive state of FXR A Kumari, L Mittal, M Srivastava, DP Pathak, S Asthana Frontiers in Molecular Biosciences 8, 658312, 2021 | 14 | 2021 |
| Traversing through the dynamic protein–protein interaction landscape and conformational plasticity of PD-1 for small-molecule discovery L Mittal, R Tonk, A Awasthi, S Asthana Journal of Medicinal Chemistry 65 (8), 5941-5953, 2022 | 13 | 2022 |
| Deciphering the structural determinants critical in attaining the FXR partial agonism A Kumari, L Mittal, M Srivastava, DP Pathak, S Asthana The Journal of Physical Chemistry B 127 (2), 465-485, 2023 | 11 | 2023 |
| Characterizing (un) binding mechanism of USP7 inhibitors to unravel the cause of enhanced binding potencies at allosteric checkpoint M Srivastava, L Mittal, A Kumari, AK Agrahari, M Singh, R Mathur, ... Protein Science 31 (9), e4398, 2022 | 11 | 2022 |
| A review on the progress and prospects of dengue drug discovery targeting NS5 RNA-dependent RNA polymerase VC Maddipati, L Mittal, M Mantipally, S Asthana, S Bhattacharyya, ... Current Pharmaceutical Design 26 (35), 4386-4409, 2020 | 11 | 2020 |
| Template entrance channel as possible allosteric inhibition and resistance site for quinolines tricyclic derivatives in RNA dependent RNA polymerase of bovine viral diarrhea virus M Srivastava, L Mittal, D Sarmadhikari, VK Singh, A Fais, A Kumar, ... Pharmaceuticals 16 (3), 376, 2023 | 4 | 2023 |
| Non-oncology drug (meticrane) shows anti-cancer ability in synergy with epigenetic inhibitors and appears to be involved passively in targeting cancer cells Y Wang, A Sharma, F Ge, P Chen, Y Yang, H Liu, H Liu, C Zhao, L Mittal, ... Frontiers in Oncology 13, 1157366, 2023 | 3 | 2023 |
| Repurposing of flavonoids as promising phytochemicals for the treatment of lung carcinoma V Yadav, L Mittal, S Paliwal, S Asthana, RK Tonk Drug repurposing for emerging infectious diseases and cancer, 89-110, 2023 | 3 | 2023 |
| Conformational dynamics of a nicotinic receptor neurotransmitter binding site M Singh, DC Indurthi, L Mittal, A Auerbach, S Asthana bioRxiv, 2023.09. 16.558050, 2023 | 2 | 2023 |
| Discovery of non-nucleoside oxindole derivatives as potent inhibitors against dengue RNA-dependent RNA polymerase VC Maddipati, L Mittal, J Kaur, Y Rawat, CP Koraboina, S Bhattacharyya, ... Bioorganic chemistry 131, 106277, 2023 | 2 | 2023 |
| Recent advances in drug development targeting cancer metabolism N Sugandha, L Mittal, A Awasthi, S Asthana Cancer Cell Metabolism: A Potential Target for Cancer Therapy, 103-126, 2020 | 2 | 2020 |
| Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline L Mittal, RK Tonk, A Awasthi, S Asthana Computational Biology and Chemistry 107, 107965, 2023 | 1 | 2023 |
| Computational Approaches to Explore The Structural Landscape Of Protein Protein Interaction Interfaces of Pd One or Pd L One An Application In Identification of Checkpoint … L Mittal New Delhi, 0 | | |
